Octane

Octane

SCHEMBL6577595

CCCCCCCC.N#CS

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
THRB P10828 1/20 0.57
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
DNM1 Q05193 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC22A1 O15245 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Thiocyanic Acid SCHEMBL6577604 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Octane SCHEMBL6579925 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Thiocyanic Acid SCHEMBL6577602 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Thiocyanic Acid SCHEMBL7135020 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Thiocyanic Acid SCHEMBL6580536 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Undecane SCHEMBL6240472 1.00 TSHR (0.57) TSHRTHRBCA1CA2DNM1
Hexane SCHEMBL19371513 0.96 TSHR (0.50) TSHRTHRBCA1CA2DNM1
Hexane SCHEMBL4939829 0.96
Pentane SCHEMBL19371507 0.89 TSHR (0.54) TSHRTHRBCA1CA2DNM1
Thiocyanic Acid SCHEMBL10434549 0.86 DNM1 (0.68) TSHRTHRBCA1CA2DNM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120435-B1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LTD (JP) 2004-05-06 EP disclosed
US-6562936-B1 Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration TEIJIN LIMITED (JP) 2003-05-13 US disclosed
US-6509435-B1 Heat resistance, stability; moldings TEIJIN LIMITED (JP) 2003-01-21 US disclosed
EP-1191049-A1 POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF TEIJIN LIMITED (JP) 2002-03-27 EP disclosed
EP-1120435-A1 APPARATUS AND METHOD FOR PRODUCING RESIN TEIJIN LIMITED (JP) 2001-08-01 EP disclosed